2-methoxyethyl benzenecarboximidate

C10H12NO2+ — CID 134844394

IUPAC2-methoxyethyl benzenecarboximidate
SMILES[H]/N=C(\OC[CH+]OC)c1ccccc1
InChIInChI=1S/C10H12NO2/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-7,11H,8H2,1H3/q+1/b11-10-
InChIKeyQMPAMUOKZXANPE-KHPPLWFESA-N
MW178.21 g/mol
LogP1.84
Rot. Bonds4

About 2-methoxyethyl benzenecarboximidate

2-methoxyethyl benzenecarboximidate (PubChem CID 134844394) has the molecular formula C10H12NO2+ and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-methoxyethyl benzenecarboximidate.

Molecular Properties

Compound Name2-methoxyethyl benzenecarboximidate
PubChem CID134844394
Molecular FormulaC10H12NO2+
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-methoxyethyl benzenecarboximidate
SMILES[H]/N=C(\OC[CH+]OC)c1ccccc1
InChIInChI=1S/C10H12NO2/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-7,11H,8H2,1H3/q+1/b11-10-
InChIKeyQMPAMUOKZXANPE-KHPPLWFESA-N
XLogP1.84
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methoxyethyl benzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanimidoyl benzenecarboximidate
CID 130459009
2,2,2-trifluoroethyl benzenecarboximidate
CID 102041341
ethyl 4-(2-phenylethenyl)benzenecarboximidate;hydrochloride
CID 70566768
bis(benzenecarboximidoyl) oxalate
CID 174616072
ethyl 4-[4-(C-ethoxycarbonimidoyl)phenyl]benzenecarboximidate;methane
CID 159044199
ethyl 3-(dihydroxymethyl)benzenecarboximidate;hydrochloride
CID 22996228
(cyclopentylideneamino) benzenecarboximidate
CID 6397591
methoxy(phenylmethoxy)methanimine
CID 20535619
[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate
CID 142010537
2-chloro-1-phenylethanimine
CID 13240605
[3-(C-ethoxycarbonimidoyl)phenyl]boronic acid
CID 55266619
2-[4-(C-ethoxycarbonimidoyl)phenyl]acetic acid
CID 165357218

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl benzenecarboximidate?
The IUPAC name of 2-methoxyethyl benzenecarboximidate (CID 134844394) is 2-methoxyethyl benzenecarboximidate.
What is the SMILES notation for 2-methoxyethyl benzenecarboximidate?
The canonical SMILES for 2-methoxyethyl benzenecarboximidate is [H]/N=C(\OC[CH+]OC)c1ccccc1.
What is the InChIKey of 2-methoxyethyl benzenecarboximidate?
The InChIKey is QMPAMUOKZXANPE-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12NO2/c1-12-7-8-13-10(11)9-5-3-2-4-6-9/h2-7,11H,8H2,1H3/q+1/b11-10-.
What are the key properties of 2-methoxyethyl benzenecarboximidate?
2-methoxyethyl benzenecarboximidate has a molecular weight of 178.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl benzenecarboximidate is sourced from PubChem (CID 134844394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).